4-(dimethylamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C9H11N3O — CID 660920

IUPAC4-(dimethylamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(N(C)C)c(C#N)c(=O)[nH]1
InChIInChI=1S/C9H11N3O/c1-6-4-8(12(2)3)7(5-10)9(13)11-6/h4H,1-3H3,(H,11,13)
InChIKeyBMQKSNHUDFPJNN-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.62
Rot. Bonds1

About 4-(dimethylamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-(dimethylamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 660920) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 4-(dimethylamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(dimethylamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID660920
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name4-(dimethylamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(N(C)C)c(C#N)c(=O)[nH]1
InChIInChI=1S/C9H11N3O/c1-6-4-8(12(2)3)7(5-10)9(13)11-6/h4H,1-3H3,(H,11,13)
InChIKeyBMQKSNHUDFPJNN-UHFFFAOYSA-N
XLogP0.62
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(dimethylamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 660920) is 4-(dimethylamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(dimethylamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(dimethylamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(N(C)C)c(C#N)c(=O)[nH]1.
What is the InChIKey of 4-(dimethylamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is BMQKSNHUDFPJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-6-4-8(12(2)3)7(5-10)9(13)11-6/h4H,1-3H3,(H,11,13).
What are the key properties of 4-(dimethylamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-(dimethylamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 177.21 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 660920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).